In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 2009 | 17 | No |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.85 | 6.56 | -57.15 | 3 | 4 | 1 | 73 | 229.259 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.85 | 6.17 | -7.52 | 2 | 4 | 0 | 72 | 228.251 | 3 | ↓ |